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Ethyl 4-(5-bromo-2-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
In the title compound, C(21)H(24)BrNO(4), the dihedral angle between the heterocyclic ring and the pendant aromatic ring is 80.20 (13)°. The hexahydroquinone [i.e. the one with the C=O group] ring adopts a sofa conformation. An intramolecular O—H⋯O hydrogen bond generates an S(6) ring motif. The et...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629593/ https://www.ncbi.nlm.nih.gov/pubmed/23634080 http://dx.doi.org/10.1107/S1600536813006739 |
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author | Kurbanova, Malahat M. Huseynov, Elnur Z. Gurbanov, Atash V. Maharramov, Abel M. Kia, Reza |
author_facet | Kurbanova, Malahat M. Huseynov, Elnur Z. Gurbanov, Atash V. Maharramov, Abel M. Kia, Reza |
author_sort | Kurbanova, Malahat M. |
collection | PubMed |
description | In the title compound, C(21)H(24)BrNO(4), the dihedral angle between the heterocyclic ring and the pendant aromatic ring is 80.20 (13)°. The hexahydroquinone [i.e. the one with the C=O group] ring adopts a sofa conformation. An intramolecular O—H⋯O hydrogen bond generates an S(6) ring motif. The ethyl group is disordered over two sets of sites with a refined site occupancy ratio of 0.633 (10):0.366 (10). In the crystal, molecules are linked by N—H⋯O interactions, forming chains parallel to [101]. There are no significant C—H⋯π or π–π interactions in the crystal structure. |
format | Online Article Text |
id | pubmed-3629593 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36295932013-04-30 Ethyl 4-(5-bromo-2-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate Kurbanova, Malahat M. Huseynov, Elnur Z. Gurbanov, Atash V. Maharramov, Abel M. Kia, Reza Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(24)BrNO(4), the dihedral angle between the heterocyclic ring and the pendant aromatic ring is 80.20 (13)°. The hexahydroquinone [i.e. the one with the C=O group] ring adopts a sofa conformation. An intramolecular O—H⋯O hydrogen bond generates an S(6) ring motif. The ethyl group is disordered over two sets of sites with a refined site occupancy ratio of 0.633 (10):0.366 (10). In the crystal, molecules are linked by N—H⋯O interactions, forming chains parallel to [101]. There are no significant C—H⋯π or π–π interactions in the crystal structure. International Union of Crystallography 2013-03-16 /pmc/articles/PMC3629593/ /pubmed/23634080 http://dx.doi.org/10.1107/S1600536813006739 Text en © Kurbanova et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Kurbanova, Malahat M. Huseynov, Elnur Z. Gurbanov, Atash V. Maharramov, Abel M. Kia, Reza Ethyl 4-(5-bromo-2-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
title | Ethyl 4-(5-bromo-2-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
title_full | Ethyl 4-(5-bromo-2-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
title_fullStr | Ethyl 4-(5-bromo-2-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
title_full_unstemmed | Ethyl 4-(5-bromo-2-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
title_short | Ethyl 4-(5-bromo-2-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
title_sort | ethyl 4-(5-bromo-2-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629593/ https://www.ncbi.nlm.nih.gov/pubmed/23634080 http://dx.doi.org/10.1107/S1600536813006739 |
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